SCHEMBL100308

SCHEMBL100308

COc1cc(NC(=O)CCCc2ccc(-c3ccccc3)c(NC(=O)O[C@@H]3C[C@H]4CC[C@@H](C3)N4C)c2)c(Cl)cc1CO

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 12/20 0.47
CHRM2 P08172 2/20 0.47
CHRM1 P11229 2/20 0.47
ADRB2 P07550 8/20 0.45
CHRM5 P08912 1/20 0.42
CHEK1 O14757 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL98938 0.90 CHRM3 (0.43) CHRM3CHRM2CHRM1ADRB2CHRM5
SCHEMBL98940 0.90 CHRM3 (0.43) CHRM3CHRM2CHRM1ADRB2CHRM5
SCHEMBL98939 0.90 CHRM3 (0.43) CHRM3CHRM2CHRM1ADRB2CHRM5
SCHEMBL660876 0.90 CHRM3 (0.50) CHRM3CHRM2ADRB2
SCHEMBL102607 0.90 CHRM3 (0.49) CHRM3CHRM2CHRM1ADRB2CHRM5
SCHEMBL102608 0.90 CHRM3 (0.49) CHRM3CHRM2CHRM1ADRB2CHRM5
Iodide SCHEMBL99407 0.88 CHRM3 (0.42) CHRM3CHRM2CHRM1ADRB2CHEK1
Iodide SCHEMBL661743 0.86 CHRM3 (0.44) CHRM3CHRM2ADRB2CHEK1
SCHEMBL661329 0.85 CHRM3 (0.51) CHRM3CHRM2ADRB2
Iodide SCHEMBL663157 0.85 CHRM3 (0.40) CHRM3CHRM2CHRM1ADRB2CHRM5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426121-A1 QUATERNARY AMMONIUM SALT COMPOUND Teijin Pharma Limited (JP) 2012-03-07 EP claimed
US-20120046467-A1 QUATERNARY AMMONIUM SALT COMPOUNDS TEIJIN PHARMA LIMITED (JP) 2012-02-23 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120046467-A1 QUATERNARY AMMONIUM SALT COMPOUNDS ADRB2, AGTR2, ADRB3 CHRM3 9/4885CHRM2 15/4885CHRM1 25/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.